8016-5062 Screening compound: 3-[4-(cyclopentyloxy)phenyl]-3-{[2-(4-nitrophenyl)acetyl]amino}propanoic acid

8016-5062 Screening compound: 3-[4-(cyclopentyloxy)phenyl]-3-{[2-(4-nitrophenyl)acetyl]amino}propanoic acid
8016-5062 Screening compound: 3-[4-(cyclopentyloxy)phenyl]-3-{[2-(4-nitrophenyl)acetyl]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5062
3-[4-(cyclopentyloxy)phenyl]-3-{[2-(4-nitrophenyl)acetyl]amino}propanoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8016-5062

Molecular Formula

C22H24N2O6 (C22 H24 N2 O6)

Compound Name

3-[4-(cyclopentyloxy)phenyl]-3-{[2-(4-nitrophenyl)acetyl]amino}propanoic acid

IUPAC name

3-[4-(cyclopentyloxy)phenyl]-3-[2-(4-nitrophenyl)acetamido]propanoic acid

SMILES

[O-][N+](c1ccc(CC(NC(CC(O)=O)c(cc2)ccc2OC2CCCC2)=O)cc1)=O

InChI

InChI=1S/C22H24N2O6/c25-21(13-15-5-9-17(10-6-15)24(28)29)23-20(14-22(26)27)16-7-11-19(12-8-16)30-18-3-1-2-4-18/h5-12,18,20H,1-4,13-14H2,(H,23,25)(H,26,27)/t20-/m0/s1

InChI Key

WYWNPPJDKVDBNU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05856924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.184

Distribution Coefficient, logD

0.546

Water Solubility, LogSw

-3.49

Polar Surface Area

92.654

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

8016-5062 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-5062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5062?
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What is the minimum amount of 8016-5062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5062
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8016-5062 available by request